AB68542
97963-62-7 | 5-Difluoromethoxy-2-mercaptobenzimidazole
Manufacturer: A2B Chem
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CatalogNumber
AB68542
ChemicalName
5-Difluoromethoxy-2-mercaptobenzimidazole
CasNumber
97963-62-7
MolecularFormula
C8H6F2N2OS
MolecularWeight
216.2078464
MdlNumber
MFCD00467504
Smiles
FC(Oc1ccc2c(c1)[nH]c(=S)[nH]2)F
Complexity
239
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
2
Xlogp3
2.1
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CatalogNumber: AB68542
ChemicalName: 5-Difluoromethoxy-2-mercaptobenzimidazole
CasNumber: 97963-62-7
MolecularFormula: C8H6F2N2OS
MolecularWeight: 216.2078464
MdlNumber: MFCD00467504
Smiles: FC(Oc1ccc2c(c1)[nH]c(=S)[nH]2)F
Complexity: 239
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: 2.1
CatalogNumber:
AB68542
ChemicalName:
5-Difluoromethoxy-2-mercaptobenzimidazole
CasNumber:
97963-62-7
MolecularFormula:
C8H6F2N2OS
MolecularWeight:
216.2078464
MdlNumber:
MFCD00467504
Smiles:
FC(Oc1ccc2c(c1)[nH]c(=S)[nH]2)F
Complexity:
239
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
2.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: FC(c1n(C)ncc1C(=O)O)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
FC(c1n(C)ncc1C(=O)O)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB68544
ChemicalName: Dansyl acid
CasNumber: 4272-77-9
MolecularFormula: C12H13NO3S
MolecularWeight: 251.30151999999998
MdlNumber: MFCD00003995
Smiles: CN(c1cccc2c1cccc2S(=O)(=O)O)C
Complexity: 360
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.2
CatalogNumber:
AB68544
ChemicalName:
Dansyl acid
CasNumber:
4272-77-9
MolecularFormula:
C12H13NO3S
MolecularWeight:
251.30151999999998
MdlNumber:
MFCD00003995
Smiles:
CN(c1cccc2c1cccc2S(=O)(=O)O)C
Complexity:
360
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.2
CatalogNumber: AB68545
ChemicalName: 5-(Dimethylamino)-pentanoic acid HCl
CasNumber: 25726-28-7
MolecularFormula: C7H16ClNO2
MolecularWeight: 181.6604
MdlNumber: MFCD00035089
Smiles: CN(CCCCC(=O)O)C.Cl
Complexity: 102
Covalently-bondedUnitCount: 2
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 5
Xlogp3: __
CatalogNumber:
AB68545
ChemicalName:
5-(Dimethylamino)-pentanoic acid HCl
CasNumber:
25726-28-7
MolecularFormula:
C7H16ClNO2
MolecularWeight:
181.6604
MdlNumber:
MFCD00035089
Smiles:
CN(CCCCC(=O)O)C.Cl
Complexity:
102
Covalently-bondedUnitCount:
2
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
5
Xlogp3:
__